CID 214469

Brn 1084854

Structural Information

Molecular Formula
C15H14N2O3S
SMILES
CN(C)S(=O)(=O)C1=CC2=C(ON=C2C=C1)C3=CC=CC=C3
InChI
InChI=1S/C15H14N2O3S/c1-17(2)21(18,19)12-8-9-14-13(10-12)15(20-16-14)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKey
WPNDZFSCVCANIU-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-phenyl-2,1-benzoxazole-5-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.0725 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.079776 167.0
[M+Na]+ 325.061718 177.9
[M-H]- 301.065224 176.8
[M+NH4]+ 320.106323 183.4
[M+K]+ 341.035658 175.6
[M+H-H2O]+ 285.069760 159.9
[M+HCOO]- 347.070701 187.0
[M+CH3COO]- 361.086351 204.3
[M+Na-2H]- 323.047166 173.2
[M]+ 302.07195142 174.6
[M]- 302.07304858 174.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.